 46 
 
   C   -1.571451372   -1.087487146    0.492598152 
   C   -0.787938077   -1.403537300    1.638086105 
   C   -1.339710052   -1.259909676    2.927413326 
   C   -2.658591440   -0.851504291    3.119056836 
   C   -3.433859509   -0.550587686    2.001728011 
   C   -2.918089117   -0.670683637    0.698117168 
   C   -3.212075982   -0.678171062    4.501788083 
   O   -0.757322143    1.496249220   -1.771311095 
   C    0.650370098   -1.847338201    1.577720973 
   C   -1.031498007   -1.194869110   -0.940460702 
   N    0.220688444   -0.476240266   -1.109547334 
   C   -0.828221125   -2.593750135   -1.482421759 
   C   -1.174295819   -3.761340444   -0.919461295 
   C    0.240791490    0.849558260   -1.477784245 
   C    1.573349546    1.509153353   -1.558760469 
   C   -3.840389337   -0.319691114   -0.443849896 
   C    1.718080216    2.595671232   -2.434931370 
   C    2.949388661    3.258737078   -2.529963459 
   C    4.043431428    2.855492865   -1.753994354 
   C    3.883247734    1.777585512   -0.874381650 
   C    2.655576164    1.104399796   -0.768715007 
   N    3.095390724    4.388524477   -3.457283963 
   O    4.138565921    5.051697522   -3.388081506 
   O    2.173036482    4.601771386   -4.254152353 
   N    5.015441089    1.340869883   -0.045812660 
   O    4.872100192    0.302201189    0.613480917 
   O    6.041047901    2.032571954   -0.064405149 
   H   -0.724998559   -1.474720373    3.800882592 
   H   -4.458862834   -0.211898416    2.145570763 
   H   -2.752201732   -1.386751508    5.198717131 
   H   -3.022680101    0.339837100    4.855840418 
   H   -4.291311037   -0.863377869    4.517250878 
   H    0.926438734   -2.407609777    2.478543699 
   H    0.844837833   -2.518529305    0.739629709 
   H    1.306341396   -0.975311392    1.512310411 
   H   -1.733924437   -0.724009783   -1.633944726 
   H    1.069218791   -0.988885219   -0.934697466 
   H   -0.381625068   -2.635307582   -2.475264417 
   H   -0.991434041   -4.700542241   -1.432867408 
   H   -1.657191431   -3.816602061    0.051899786 
   H   -3.913879542   -1.154554978   -1.148051482 
   H   -4.857188163   -0.111605653   -0.093029868 
   H   -3.483125508    0.577240839   -0.959167282 
   H    0.864120241    2.915477930   -3.033846588 
   H    4.999398274    3.372680648   -1.831332142 
   H    2.541003075    0.295095879   -0.053115338 
